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An analysis of states in the phase space: the diatomic molecules
Authors:S Tosto
Institution:(1) Dipartimento Innovazione, ENEA Casaccia, Via Anguillarese 301, 00060 Roma, Italy
Abstract:Summary The paper concerns a theoretical model to calculate the number of allowed states for the electrons in the diatomic molecules through the quantum-statistical analysis of the phase space. The approach is a straightforward extension of that already discussed in the case of many-electron atoms. Simple formulae are derived that enable to calculate the dissociation energy, bond length and vibrational frequency of diatomic molecules in a good agreement with the experimental data.
Keywords:Calculations and mathematical techniques in atomic and molecular physics            Ab initio calculations
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